tert-butyl N-[(2S,3R)-3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3R)-3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-2-methoxy-1-(3-quinolylmethylsulfanylmethyl)propyl]carbamate CAS Name: N-[(2S,3R)-3-methoxy-1-(3-quinolinylmethylthio)butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R)-3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-yl]carbamate Traditional Name: N-[(1S,2R)-2-methoxy-1-[(3-quinolylmethylthio)methyl]propyl]carbamic acid tert-butyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CSCC1=CC2=CC=CC=C2N=C1)NC(=O)OC(C)(C)C)OC

Isomeric SMILES

C[C@H]([C@@H](CSCC1=CC2=CC=CC=C2N=C1)NC(=O)OC(C)(C)C)OC

InChI

InChI=1S/C20H28N2O3S/c1-14(24-5)18(22-19(23)25-20(2,3)4)13-26-12-15-10-16-8-6-7-9-17(16)21-11-15/h6-11,14,18H,12-13H2,1-5H3,(H,22,23)/t14-,18-/m1/s1